N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine

C₁₅H₂₅BrN₂O — CID 62556159

About N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine

N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62556159) has the molecular formula C₁₅H₂₅BrN₂O and a molecular weight of 329.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

• Compound Name: N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
• PubChem CID: 62556159
• Molecular Formula: C₁₅H₂₅BrN₂O
• Molecular Weight: 329.28 g/mol
• Exact Mass: 328.12
• IUPAC Name: N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
• SMILES: COCCN(CCNc1cccc(Br)c1)CC(C)C
• InChI: InChI=1S/C15H25BrN2O/c1-13(2)12-18(9-10-19-3)8-7-17-15-6-4-5-14(16)11-15/h4-6,11,13,17H,7-10,12H2,1-3H3
• InChIKey: ILIKOTRQJXFSCF-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 24.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.28
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?

The IUPAC name of N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine (CID 62556159) is N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine.

What is the SMILES notation for N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?

The canonical SMILES for N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine is COCCN(CCNc1cccc(Br)c1)CC(C)C.

What is the InChIKey of N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?

The InChIKey is ILIKOTRQJXFSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-13(2)12-18(9-10-19-3)8-7-17-15-6-4-5-14(16)11-15/h4-6,11,13,17H,7-10,12H2,1-3H3.

What are the key properties of N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?

N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 329.28 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62556159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62556159 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.